Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-3.6157 4.1935 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3093 3.1075 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1281 3.0220 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2457 1.9739 -0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 1.6806 -1.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1761 2.4208 -2.2019 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9034 0.6368 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5327 0.8689 0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5291 -0.1440 0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8544 -0.2883 2.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1460 -0.9589 -0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0921 -1.9033 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2486 -1.3055 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5050 -1.6529 2.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3226 -0.7436 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7762 -1.0218 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1969 -0.1753 0.8307 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4189 -2.2549 0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4867 -2.5384 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6346 -1.6510 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8165 -2.1562 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9671 0.7239 -1.7712 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4849 4.2315 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9436 5.0514 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9556 2.2453 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5577 3.9642 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3726 2.9533 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0503 1.8717 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7672 0.9076 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6674 -2.7172 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4711 -2.3884 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9056 -0.5858 0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8804 -2.3715 2.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3543 -1.2342 2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0818 -1.5358 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 -0.8898 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7972 -3.5837 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1785 -2.4963 1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 -0.5666 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9388 -3.2250 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7072 -1.5537 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7770 0.0893 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers